lithium 1,2-difluoro-3-methylbenzene-6-ide

C7H5F2Li — CID 59346107

IUPAClithium 1,2-difluoro-3-methylbenzene-6-ide
SMILESCc1cc[c-]c(F)c1F.[Li+]
InChIInChI=1S/C7H5F2.Li/c1-5-3-2-4-6(8)7(5)9;/h2-3H,1H3;/q-1;+1
InChIKeyZEEATOQNVQUUBH-UHFFFAOYSA-N
MW134.05 g/mol
LogP-0.92
Rot. Bonds

About lithium 1,2-difluoro-3-methylbenzene-6-ide

lithium 1,2-difluoro-3-methylbenzene-6-ide (PubChem CID 59346107) has the molecular formula C7H5F2Li and a molecular weight of 134.05 g/mol. Its IUPAC name is lithium 1,2-difluoro-3-methylbenzene-6-ide.

Molecular Properties

Compound Namelithium 1,2-difluoro-3-methylbenzene-6-ide
PubChem CID59346107
Molecular FormulaC7H5F2Li
Molecular Weight134.05 g/mol
Exact Mass134.05
IUPAC Namelithium 1,2-difluoro-3-methylbenzene-6-ide
SMILESCc1cc[c-]c(F)c1F.[Li+]
InChIInChI=1S/C7H5F2.Li/c1-5-3-2-4-6(8)7(5)9;/h2-3H,1H3;/q-1;+1
InChIKeyZEEATOQNVQUUBH-UHFFFAOYSA-N
XLogP-0.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluorobenzene-6-ide;zinc
CID 141412419
dichloronickel(2+);phosphane;bis(1,2,3-trifluorobenzene-6-ide)
CID 87791962
magnesium;6-fluoro-2-methyl-3H-pyridin-3-ide;bromide
CID 91655783
magnesium;hydroxysilane;1,2,3-trimethylbenzene-6-ide
CID 173351353
1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride
CID 87280067
1-[4-[[4-(2,3-difluorobenzene-4-id-1-yl)cyclohexyl]methyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
CID 58058658
1-[4-[4-[(2,3-difluorobenzene-4-id-1-yl)methyl]cyclohexyl]phenyl]-2,3-difluoro-4-methylbenzene;rubidium(1+)
CID 58058567
1-ethyl-2-(2-ethyl-6-methylbenzene-3-id-1-yl)-3-methylbenzene-6-ide;rhenium
CID 59193678
lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide
CID 87932261
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
zinc;1,2-difluorobenzene-6-ide;bromide
CID 172808101
2-fluoro-3,6-dimethylaniline
CID 67968158

Frequently Asked Questions

What is the IUPAC name of lithium 1,2-difluoro-3-methylbenzene-6-ide?
The IUPAC name of lithium 1,2-difluoro-3-methylbenzene-6-ide (CID 59346107) is lithium 1,2-difluoro-3-methylbenzene-6-ide.
What is the SMILES notation for lithium 1,2-difluoro-3-methylbenzene-6-ide?
The canonical SMILES for lithium 1,2-difluoro-3-methylbenzene-6-ide is Cc1cc[c-]c(F)c1F.[Li+].
What is the InChIKey of lithium 1,2-difluoro-3-methylbenzene-6-ide?
The InChIKey is ZEEATOQNVQUUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2.Li/c1-5-3-2-4-6(8)7(5)9;/h2-3H,1H3;/q-1;+1.
What are the key properties of lithium 1,2-difluoro-3-methylbenzene-6-ide?
lithium 1,2-difluoro-3-methylbenzene-6-ide has a molecular weight of 134.05 g/mol, XLogP of -0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2-difluoro-3-methylbenzene-6-ide is sourced from PubChem (CID 59346107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).